Fig. 5: Computational diffusion barriers for Cu through WS2. | Nature Electronics

Fig. 5: Computational diffusion barriers for Cu through WS2.

From: Low-temperature wafer-scale growth of ultrathin tungsten disulfide for bifunctional interconnect barriers and liners

Fig. 5: Computational diffusion barriers for Cu through WS2.

a–c, Side and top views of Cu diffusion. a, Ideal WS2 bilayer. b, Defective WS2 bilayer with aligned defects. Inset: the generated defect. c, Defective WS2 layer over an ideal WS2 layer mimicking a bilayer with misaligned grains. There is another pathway (dashed blue line) for intralayer migration. d, Corresponding energy profiles calculated for the different pathways. Visualization in a–c created with VESTA47.

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